N-[2-[[2-[(4-methylsulfanylphenyl)carbonylamino]cyclohexyl]amino]-2-oxidanylidene-ethyl]-2-(prop-2-enylcarbamoylamino)-5-(trifluoromethyl)benzamide

Systemtic Name: N-[2-[[2-[(4-methylsulfanylphenyl)carbonylamino]cyclohexyl]amino]-2-oxidanylidene-ethyl]-2-(prop-2-enylcarbamoylamino)-5-(trifluoromethyl)benzamide Openeye Name: 2-(allylcarbamoylamino)-N-[2-[[2-[(4-methylsulfanylbenzoyl)amino]cyclohexyl]amino]-2-oxo-ethyl]-5-(trifluoromethyl)benzamide CAS Name: N-[2-[[2-[[[4-(methylthio)phenyl]-oxomethyl]amino]cyclohexyl]amino]-2-oxoethyl]-2-[[oxo-(prop-2-enylamino)methyl]amino]-5-(trifluoromethyl)benzamide IUPAC Name: N-[2-[[2-[(4-methylsulfanylbenzoyl)amino]cyclohexyl]amino]-2-oxoethyl]-2-(prop-2-enylcarbamoylamino)-5-(trifluoromethyl)benzamide Traditional Name: 2-(allylcarbamoylamino)-N-[2-keto-2-[[2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]ethyl]-5-(trifluoromethyl)benzamide Formula: C28H32F3N5O4S MolecularWeight: 591.64499

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)NC2CCCCC2NC(=O)CNC(=O)C3=C(C=CC(=C3)C(F)(F)F)NC(=O)NCC=C

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)NC2CCCCC2NC(=O)CNC(=O)C3=C(C=CC(=C3)C(F)(F)F)NC(=O)NCC=C

InChI

InChI=1S/C28H32F3N5O4S/c1-3-14-32-27(40)36-21-13-10-18(28(29,30)31)15-20(21)26(39)33-16-24(37)34-22-6-4-5-7-23(22)35-25(38)17-8-11-19(41-2)12-9-17/h3,8-13,15,22-23H,1,4-7,14,16H2,2H3,(H,33,39)(H,34,37)(H,35,38)(H2,32,36,40)